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4 changes: 2 additions & 2 deletions .github/workflows/build.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,12 +20,12 @@ jobs:
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v6
- uses: actions/checkout@v7
with:
fetch-depth: 0

- name: setup Python
uses: actions/setup-python@v6
uses: actions/setup-python@v7
with:
python-version: "3.14"
check-latest: true
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4 changes: 2 additions & 2 deletions .github/workflows/docs.yml
Original file line number Diff line number Diff line change
Expand Up @@ -13,12 +13,12 @@ jobs:
permissions:
contents: write
steps:
- uses: actions/checkout@v6
- uses: actions/checkout@v7
with:
fetch-depth: 0

- name: setup Python
uses: actions/setup-python@v6
uses: actions/setup-python@v7
with:
python-version: "3.14"
check-latest: true
Expand Down
4 changes: 2 additions & 2 deletions .github/workflows/lint.yml
Original file line number Diff line number Diff line change
Expand Up @@ -9,12 +9,12 @@ jobs:
runs-on: ubuntu-latest

steps:
- uses: actions/checkout@v6
- uses: actions/checkout@v7
with:
fetch-depth: 0

- name: Set up Python
uses: actions/setup-python@v6
uses: actions/setup-python@v7
with:
python-version: "3.14"
check-latest: true
Expand Down
4 changes: 2 additions & 2 deletions .github/workflows/tests.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,12 +20,12 @@ jobs:
- "3.14"

steps:
- uses: actions/checkout@v6
- uses: actions/checkout@v7
with:
fetch-depth: 0

- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v6
uses: actions/setup-python@v7
with:
python-version: ${{ matrix.python-version }}
check-latest: true
Expand Down
6 changes: 2 additions & 4 deletions src/spectrumkit/dielectricspectrum.py
Original file line number Diff line number Diff line change
Expand Up @@ -121,7 +121,7 @@ def calculate_spectrum_from_dipole(
dsusc = np.zeros(seglen, dtype=complex)

# Loop over segments
for s in range(0, segs):
for s in range(segs):
logging.info(f"\rSegment {s + 1} of {segs}")
ss = 0 + 0j

Expand Down Expand Up @@ -198,7 +198,6 @@ def calculate_spectrum_from_dipole(
logging.info(f"Binned data consists of {len(susc)} datapoints")
else:
logging.info(f"Not binning data: there are {len(susc)} datapoints")
pass

return results

Expand Down Expand Up @@ -290,7 +289,7 @@ def calculate_spectrum_from_current(
dsusc = np.zeros(seglen, dtype=complex)

# Loop over segments
for s in range(0, segs):
for s in range(segs):
logging.info(f"\rSegment {s + 1} of {segs}")
ss = 0 + 0j

Expand Down Expand Up @@ -777,7 +776,6 @@ def _conclude(self) -> None: ...
@render_docs
def save(self) -> None:
"""${SAVE_METHOD_DESCRIPTION}""" # noqa: D415
...


def WienerKhinchin(time, timeseries, volume, temperature, spectrum_type="dipole"):
Expand Down
2 changes: 0 additions & 2 deletions src/spectrumkit/lib/preprocessing.py
Original file line number Diff line number Diff line change
@@ -1,5 +1,3 @@
#!/usr/bin/env python
#
# Copyright (c) 2026 Authors and contributors
# (see the AUTHORS.rst file for the full list of names)
#
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4 changes: 1 addition & 3 deletions src/spectrumkit/lib/util.py
Original file line number Diff line number Diff line change
@@ -1,5 +1,3 @@
#!/usr/bin/env python
#
# Copyright (c) 2025 Authors and contributors
# (see the AUTHORS.rst file for the full list of names)
#
Expand Down Expand Up @@ -38,7 +36,7 @@ def bin(a: np.ndarray, bins: np.ndarray) -> np.ndarray:
count = np.zeros(len(bins), dtype=int)
ic = -1

for i in range(0, len(a)):
for i in range(len(a)):
if i in bins:
ic += 1 # index for new average
avg[ic] += a[i]
Expand Down
1 change: 0 additions & 1 deletion tests/data/__init__.py
Original file line number Diff line number Diff line change
@@ -1,4 +1,3 @@
#!/usr/bin/env python3
"""init file for datafiles."""
# -*- Mode: python; tab-width: 4; indent-tabs-mode:nil; coding:utf-8 -*-
#
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2 changes: 0 additions & 2 deletions tests/lib/test_math.py
Original file line number Diff line number Diff line change
@@ -1,5 +1,3 @@
#!/usr/bin/env python
#
# Copyright (c) 2025 Authors and contributors
# (see the AUTHORS.rst file for the full list of names)
#
Expand Down
4 changes: 1 addition & 3 deletions tests/tests.py
Original file line number Diff line number Diff line change
@@ -1,5 +1,3 @@
#!/usr/bin/env python
#
# Copyright (c) 2025 Authors and contributors
# (see the AUTHORS.rst file for the full list of names)
#
Expand All @@ -18,7 +16,7 @@
from spectrumkit import DielectricSpectrum, calculate_spectrum_from_dipole

sys.path.append(str(Path(__file__).parents[1]))
from data import WATER_TPR_NPT, WATER_TRR_NPT # noqa: E402
from data import WATER_TPR_NPT, WATER_TRR_NPT


class TestDielectricSpectrum:
Expand Down
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